2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide

C14H22N2O — CID 54950191

IUPAC2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-4-10(2)11(3)16-14(17)9-12-5-7-13(15)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyJMNZKAMVXHHTFQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds5

About 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide

2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide (PubChem CID 54950191) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
PubChem CID54950191
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
SMILESCCC(C)C(C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C14H22N2O/c1-4-10(2)11(3)16-14(17)9-12-5-7-13(15)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17)
InChIKeyJMNZKAMVXHHTFQ-UHFFFAOYSA-N
XLogP2.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-carbamothioylphenyl)-N-(3-methylpentan-2-yl)acetamide
CID 63590173
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
CID 119796536
3-(3-aminophenyl)-N-(3-methylpentan-2-yl)propanamide
CID 54955617
2-(4-ethylphenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 99626723
N-[(2R)-3-methylpentan-2-yl]propanamide
CID 145216410
butan-2-yl 2-(4-aminophenyl)acetate
CID 43830814
2-(4-aminophenyl)-N-(2-ethylbutyl)acetamide
CID 113266165

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide (CID 54950191) is 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide is CCC(C)C(C)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide?
The InChIKey is JMNZKAMVXHHTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10(2)11(3)16-14(17)9-12-5-7-13(15)8-6-12/h5-8,10-11H,4,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide?
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide has a molecular weight of 234.34 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide is sourced from PubChem (CID 54950191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).